Information card for entry 4508802

Structure parameters

• Formula: C19 H23 Br Cu N8 O3
• Calculated formula: C19 H23 Br Cu N8 O3
• SMILES: Brc1cc(cc(Cn2c[n]([Cu](OC(=O)C)N=N#N)cc2)c1)Cn1cncc1.O=CN(C)C
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene
• Authors of publication: Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2092
• a: 9.2445 ± 0.0007 Å
• b: 11.1244 Å
• c: 12.206 ± 0.0013 Å
• α: 72.91 ± 0.02°
• β: 88.68 ± 0.02°
• γ: 74.172 ± 0.013°
• Cell volume: 1152.1 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No